Hna19

Structural Information

Molecular Formula

C₁₆₁H₂₀₉N₆₂O₁₀₂P₁₅

SMILES

CC1=CN(C(=O)NC1=O)C2CC(C(OC2)COP(=O)(O)OC3CC(COC3COP(=O)(O)OC4CC(COC4COP(=O)(O)OC5C(OC(C5O)N6C=NC7=C(N=CN=C76)N)COP(=O)(O)OC8C(OC(C8O)N9C=NC1=C9N=C(NC1=O)N)COP(=O)(O)OC1CC(COC1COP(=O)(O)OC1CC(COC1COP(=O)(O)OC1C(OC(C1O)N1C=CC(=NC1=O)N)COP(=O)(O)OC1C(OC(C1O)N1C=CC(=NC1=O)N)COP(=O)(O)OC1CC(COC1COP(=O)(O)OC1C(OC(C1O)N1C=NC2=C1N=C(NC2=O)N)COP(=O)(O)OC1C(OC(C1O)N1C=NC2=C1N=C(NC2=O)N)COP(=O)(O)OC1C(OC(C1O)N1C=CC(=NC1=O)N)COP(=O)(O)OC1C(OC(C1O)N1C=NC2=C(N=CN=C21)N)COP(=O)(O)OC1C(OC(C1O)N1C=CC(=NC1=O)N)CO)N1C=C(C(=O)NC1=O)C)N1C=CC(=NC1=O)N)N1C=NC2=C(N=CN=C21)N)N1C=CC(=NC1=O)N)N1C=NC2=C1N=C(NC2=O)N)OP(=O)(O)OCC1C(CC(CO1)N1C=NC2=C1N=C(NC2=O)N)O

InChI

InChI=1S/C161H209N62O102P15/c1-58-22-214(160(248)206-133(58)235)63-18-70(313-326(250,251)287-32-75-67(225)15-60(25-280-75)217-51-185-99-128(217)196-149(171)201-135(99)237)76(283-28-63)33-288-329(256,257)315-73-21-66(218-52-186-100-129(218)197-150(172)202-136(100)238)31-286-78(73)35-290-328(254,255)312-69-17-62(209-10-4-91(163)191-155(209)243)27-282-80(69)37-292-333(264,265)321-117-87(307-144(108(117)230)219-53-183-97-123(169)177-48-180-126(97)219)44-299-339(276,277)324-119-85(308-146(110(119)232)221-55-187-101-130(221)198-151(173)203-137(101)239)40-295-331(260,261)316-72-20-65(216-50-182-96-122(168)176-47-179-125(96)216)30-285-77(72)34-289-327(252,253)311-68-16-61(208-9-3-90(162)190-154(208)242)26-281-79(68)36-291-332(262,263)318-115-83(304-142(106(115)228)212-13-7-94(166)194-158(212)246)41-297-336(270,271)319-114-82(303-141(105(114)227)211-12-6-93(165)193-157(211)245)39-294-330(258,259)314-71-19-64(215-23-59(2)134(236)207-161(215)249)29-284-81(71)38-293-334(266,267)322-120-88(309-147(111(120)233)222-56-188-102-131(222)199-152(174)204-138(102)240)45-301-340(278,279)325-121-89(310-148(112(121)234)223-57-189-103-132(223)200-153(175)205-139(103)241)46-300-337(272,273)320-116-84(305-143(107(116)229)213-14-8-95(167)195-159(213)247)42-298-338(274,275)323-118-86(306-145(109(118)231)220-54-184-98-124(170)178-49-181-127(98)220)43-296-335(268,269)317-113-74(24-224)302-140(104(113)226)210-11-5-92(164)192-156(210)244/h3-14,22-23,47-57,60-89,104-121,140-148,224-234H,15-21,24-46H2,1-2H3,(H,250,251)(H,252,253)(H,254,255)(H,256,257)(H,258,259)(H,260,261)(H,262,263)(H,264,265)(H,266,267)(H,268,269)(H,270,271)(H,272,273)(H,274,275)(H,276,277)(H,278,279)(H2,162,190,242)(H2,163,191,243)(H2,164,192,244)(H2,165,193,245)(H2,166,194,246)(H2,167,195,247)(H2,168,176,179)(H2,169,177,180)(H2,170,178,181)(H,206,235,248)(H,207,236,249)(H3,171,196,201,237)(H3,172,197,202,238)(H3,173,198,203,239)(H3,174,199,204,240)(H3,175,200,205,241)

InChIKey

DCQOTNTYDUYPRO-UHFFFAOYSA-N

Compound name

[3-[[3-[[5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[3-[[3-[[3-[[3-[[3-[[5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[3-[[3-[[5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[3-[[5-(2-amino-6-oxo-1H-purin-9-yl)-3-hydroxyoxan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxan-2-yl]methoxy-hydroxyphosphoryl]oxyoxan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(4-amino-2-oxopyrimidin-1-yl)oxan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(6-aminopurin-9-yl)-4-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-4-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(6-aminopurin-9-yl)oxan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(4-amino-2-oxopyrimidin-1-yl)oxan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(4-amino-2-oxopyrimidin-1-yl)-4-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(4-amino-2-oxopyrimidin-1-yl)-4-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxan-2-yl]methoxy-hydroxyphosphoryl]oxy-4-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-4-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(4-amino-2-oxopyrimidin-1-yl)-4-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(6-aminopurin-9-yl)-4-hydroxyoxolan-2-yl]methyl [5-(4-amino-2-oxopyrimidin-1-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] hydrogen phosphate

Related CIDs

• CID 16133703